4-[[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N-isopropyl-2,5-dimethyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-N-propan-2-ylanilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-N-propan-2-ylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-amidinophenoxy)prop-1-ynyl]-N-isopropyl-2,5-dimethyl-anilino]-4-keto-butyric acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCOC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C#CCOC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)CCC(=O)O

InChI

InChI=1S/C25H29N3O4/c1-16(2)28(23(29)11-12-24(30)31)22-15-17(3)20(14-18(22)4)6-5-13-32-21-9-7-19(8-10-21)25(26)27/h7-10,14-16H,11-13H2,1-4H3,(H3,26,27)(H,30,31)